N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C23H37F3N4O3 — CID 135141022

IUPACN-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCOCCN(C)CCN(C)C1(CN(C(=O)CC)c2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C23H37F3N4O3/c1-5-21(31)30(20-9-7-8-19(27-20)23(24,25)26)18-22(10-15-33-16-11-22)29(4)13-12-28(3)14-17-32-6-2/h7-9H,5-6,10-18H2,1-4H3
InChIKeyAIDQRJBARLSXQG-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.29
Rot. Bonds12

About N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 135141022) has the molecular formula C23H37F3N4O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID135141022
Molecular FormulaC23H37F3N4O3
Molecular Weight474.57 g/mol
Exact Mass474.28
IUPAC NameN-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCOCCN(C)CCN(C)C1(CN(C(=O)CC)c2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C23H37F3N4O3/c1-5-21(31)30(20-9-7-8-19(27-20)23(24,25)26)18-22(10-15-33-16-11-22)29(4)13-12-28(3)14-17-32-6-2/h7-9H,5-6,10-18H2,1-4H3
InChIKeyAIDQRJBARLSXQG-UHFFFAOYSA-N
XLogP3.29
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 135141022) is N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CCOCCN(C)CCN(C)C1(CN(C(=O)CC)c2cccc(C(F)(F)F)n2)CCOCC1.
What is the InChIKey of N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is AIDQRJBARLSXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F3N4O3/c1-5-21(31)30(20-9-7-8-19(27-20)23(24,25)26)18-22(10-15-33-16-11-22)29(4)13-12-28(3)14-17-32-6-2/h7-9H,5-6,10-18H2,1-4H3.
What are the key properties of N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 474.57 g/mol, XLogP of 3.29, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-ethoxyethyl(methyl)amino]ethyl-methylamino]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 135141022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).